2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane

C2H4F5NO3P2 — CID 164935703

IUPAC2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane
SMILESO=P(F)(F)NP(=O)(F)OCC(F)F
InChIInChI=1S/C2H4F5NO3P2/c3-2(4)1-11-13(7,10)8-12(5,6)9/h2H,1H2,(H,8,9,10)
InChIKeyDYSGDPFYGFXFDR-UHFFFAOYSA-N
MW247.00 g/mol
LogP2.98
Rot. Bonds5

About 2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane

2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane (PubChem CID 164935703) has the molecular formula C2H4F5NO3P2 and a molecular weight of 247.00 g/mol. Its IUPAC name is 2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane.

Molecular Properties

Compound Name2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane
PubChem CID164935703
Molecular FormulaC2H4F5NO3P2
Molecular Weight247.00 g/mol
Exact Mass246.96
IUPAC Name2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane
SMILESO=P(F)(F)NP(=O)(F)OCC(F)F
InChIInChI=1S/C2H4F5NO3P2/c3-2(4)1-11-13(7,10)8-12(5,6)9/h2H,1H2,(H,8,9,10)
InChIKeyDYSGDPFYGFXFDR-UHFFFAOYSA-N
XLogP2.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.00
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane?
The IUPAC name of 2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane (CID 164935703) is 2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane.
What is the SMILES notation for 2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane?
The canonical SMILES for 2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane is O=P(F)(F)NP(=O)(F)OCC(F)F.
What is the InChIKey of 2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane?
The InChIKey is DYSGDPFYGFXFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F5NO3P2/c3-2(4)1-11-13(7,10)8-12(5,6)9/h2H,1H2,(H,8,9,10).
What are the key properties of 2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane?
2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane has a molecular weight of 247.00 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(difluorophosphorylamino)-fluorophosphoryl]oxy-1,1-difluoroethane is sourced from PubChem (CID 164935703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).